ethyl 2-[(3-aminocarbonyl-6-azanyl-5-cyano-4-phenyl-3,4-dihydropyridin-2-yl)sulfanyl]ethanoate

Systemtic Name: ethyl 2-[(3-aminocarbonyl-6-azanyl-5-cyano-4-phenyl-3,4-dihydropyridin-2-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(6-amino-3-carbamoyl-5-cyano-4-phenyl-3,4-dihydropyridin-2-yl)sulfanyl]acetate CAS Name: 2-[(6-amino-3-carbamoyl-5-cyano-4-phenyl-3,4-dihydropyridin-2-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(6-amino-3-carbamoyl-5-cyano-4-phenyl-3,4-dihydropyridin-2-yl)sulfanyl]acetate Traditional Name: 2-[(6-amino-3-carbamoyl-5-cyano-4-phenyl-3,4-dihydropyridin-2-yl)thio]acetic acid ethyl ester Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=C(C(C1C(=O)N)C2=CC=CC=C2)C#N)N

Isomeric SMILES

CCOC(=O)CSC1=NC(=C(C(C1C(=O)N)C2=CC=CC=C2)C#N)N

InChI

InChI=1S/C17H18N4O3S/c1-2-24-12(22)9-25-17-14(16(20)23)13(10-6-4-3-5-7-10)11(8-18)15(19)21-17/h3-7,13-14H,2,9,19H2,1H3,(H2,20,23)